Basic information
- CAS
1935-18-8- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C- InChIKey
XOMRRQXKHMYMOC-UHFFFAOYSA-N- Molecular formula
- C23H45NO4
- Average molar mass
- 399.6 g/mol
- Monoisotopic mass
- 399.33485892
Overview
O-palmitoylcarnitine is an O-acylcarnitine having palmitoyl (hexadecanoyl) as the acyl substituent. It has a role as a metabolite. It is functionally related to a hexadecanoic acid.
Names & identifiers
- Preferred name
- (+-)-Palmitoyl carnitine
- IUPAC
- 3-hexadecanoyloxy-4-(trimethylazaniumyl)butanoate
- English name
- Palmitoylcarnitine
- Molecular formula
- C23H45NO4
- Molecular weight
- 399.62
Names & synonyms
PALMITOYLCARNITINE1935-18-8Palmitylcarnitine3-hexadecanoyloxy-4-(trimethylazaniumyl)butanoateU8K6DKA8V2DTXSID908950281-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxohexadecyl)oxy)-, inner saltRefChem:905514(+-)-Palmitoyl carnitineDTXCID101324587O-palmitoylcarnitine(+/-)-palmitoyl carnitine
Show more names
CPD-419C16 CarnitinePalmine-L-carnitinePalmitoylcarnitine-D9PALMITOYL L-CARNITINEC16 CARNITINE[3-Carboxylato-2-(palmitoyloxy)propyl]trimethylaminium
O-hexadecanoylcarnitine3-(hexadecanoyloxy)-4-(trimethylazaniumyl)butanoatePALMITOYL-CARNITINE1-Propanaminium,3-carboxy-N,N,N-trimethyl-2-[(1-oxohexadecyl)oxy]-, inner saltCHEBI:73067palmitoyl-dl-carnitine3-(hexadecanoyloxy)-4-(trimethylammonio)butanoateC23H45NO4
Database identifiers
- CAS
1935-18-8
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 19
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 398
Experimental & physicochemical properties
Lipids
Lipids -> Unambiguous Lipids
Fatty Acyls [FA] -> Fatty esters [FA07] -> Fatty acyl carnitines [FA0707]
Collision Cross Section
212.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Unambiguous Lipids]
219.7 Ų [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
216.1 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
217 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine]
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- powder
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- InChI
- InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3
- InChIKey
- XOMRRQXKHMYMOC-UHFFFAOYSA-N
- SMILES
- C(CC(=O)[O-])(C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
- LogP
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationA group of water-soluble vitamins, some of which are COENZYMES.
Applications
UsesC16 Carnitine or palmitoyl L-carnitine has been used to study its influence on the glycine transporters activity.
Suppliers20 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
广州安励合生物科技有限公司13928234501 18098185186 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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